3-[4-(2-Chloroethyl)phenyl]-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine

HCID 21876002

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCCl)cc1
InChIKey: VFTKXAKMUWOYHV-UHFFFAOYSA-N
Molecular formula: C18H20ClN3
Average molar mass: 313.8 g/mol

Names & identifiers

Preferred name: 3-[4-(2-Chloroethyl)phenyl]-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine
IUPAC: 3-[4-(2-chloroethyl)phenyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

Names & synonyms

SCHEMBL1625177VFTKXAKMUWOYHV-UHFFFAOYSA-N3-[4-(2-Chloroethyl)phenyl]-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine

Database identifiers

PubChem CID: 21876002

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 356

Related reactions

16 records

New reaction record

HRID 205271As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 724019As productuspto-grants-2006_11

HRID 724020As reactantuspto-grants-2006_11

HRID 724023As reactantuspto-grants-2006_11

HRID 858378As productuspto-grants-2006_12

HRID 858379As reactantuspto-grants-2006_12

HRID 858383As reactantuspto-grants-2006_12

HRID 1226010As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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